2-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H17F3N2O3 — CID 79258755

IUPAC2-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1(C(=O)N(CC(=O)O)CC(F)(F)F)CCNCC1
InChIInChI=1S/C11H17F3N2O3/c1-10(2-4-15-5-3-10)9(19)16(6-8(17)18)7-11(12,13)14/h15H,2-7H2,1H3,(H,17,18)
InChIKeyBKHRCKROMMSEKL-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.85
Rot. Bonds4

About 2-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258755) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258755
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1(C(=O)N(CC(=O)O)CC(F)(F)F)CCNCC1
InChIInChI=1S/C11H17F3N2O3/c1-10(2-4-15-5-3-10)9(19)16(6-8(17)18)7-11(12,13)14/h15H,2-7H2,1H3,(H,17,18)
InChIKeyBKHRCKROMMSEKL-UHFFFAOYSA-N
XLogP0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258755) is 2-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC1(C(=O)N(CC(=O)O)CC(F)(F)F)CCNCC1.
What is the InChIKey of 2-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is BKHRCKROMMSEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-10(2-4-15-5-3-10)9(19)16(6-8(17)18)7-11(12,13)14/h15H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 282.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).